LIPID MAPS

Structure Database (LMSD)

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Common Name

Halisphingosine A

Systematic Name

(2R,3R,8R,Z)-2-aminooctadec-9-ene-1,3,8-triol

Synonyms

LM ID

LMSP01080092

Formula

C₁₈H₃₇NO₄

Exact Mass

Calculate m/z

331.272259

Sum Composition

SPB 18:1;O4

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Haliclona tubifera (#458498)

Demospongiae (#6042)

Halisphingosines A and B, modified sphingoid bases from Haliclona tubifera. Assignment of configuration by circular dichroism and van't Hoff's principle of optical superposition.,
J Nat Prod, 2013

Pubmed ID: 23268569

DOI: 10.1021/np300744y

String Representations

InChiKey (Click to copy)

WUCFBEQCPOJDKW-LSELUGTASA-N

InChi (Click to copy)

InChI=1S/C18H37NO4/c1-2-3-4-5-6-7-8-9-11-15(21)12-10-13-17(22)18(23)16(19)14-20/h9,11,15-18,20-23H,2-8,10,12-14,19H2,1H3/b11-9-/t15-,16-,17+,18+/m0/s1

SMILES (Click to copy)

[C@](CO)([H])(N)[C@@]([H])(O)[C@H](O)CCC[C@@H](O)/C=C\CCCCCCCC